Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010871
PROPERTIES
| NPAID | NPA010871 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Chloro-orienticin E |
| FORMULA | C67H77Cl2N9O24 |
| MOLECULAR WEIGHT (Da) | 1463.2980 |
| ACCURATE MASS (Da) | 1461.4458 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis PA-45052 |
| InChIKey | HAKVEOXLVAZZAL-YAZNNGBZSA-N |
| InChI | InChI=1S/C67H77Cl2N9O24/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(57(41)102-66-55(87)54(86)53(85)43(23-79)100-66)99-40-12-9-28(16-34(40)69)56(101-45-22-67(4,71)58(88)25(3)97-45)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-56,58,66,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96)/t25?,35-,36+,43?,45?,47?,48+,49-,50+,51?,52+,53?,54?,55?,56+,58?,66?,67?/m0/s1 |
| SMILES | CC1C(C(CC(O1)O[C@H]2C3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)C)O)Cl)OC9C(C(C(C(O9)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | TSUJI, NAOKI; KAMIGAUCHI, TOSHIYUKI; KOBAYASHI, MASAAKI; TERUI, YOSHIHIRO New glycopeptide antibiotics: II. The isolation and structures of chloroorienticins Journal of Antibiotics 1988 41 (10) 1506-1510. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.1506 | PMID | 3272137 |
